5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one

C12H12N4O — CID 114988519

IUPAC5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1cn[nH]c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H12N4O/c13-12(9-5-14-15-6-9)7-1-2-10-8(3-7)4-11(17)16-10/h1-3,5-6,12H,4,13H2,(H,14,15)(H,16,17)
InChIKeyQQJQBGLFWLTEFS-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.95
Rot. Bonds2

About 5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one

5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 114988519) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID114988519
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1cn[nH]c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H12N4O/c13-12(9-5-14-15-6-9)7-1-2-10-8(3-7)4-11(17)16-10/h1-3,5-6,12H,4,13H2,(H,14,15)(H,16,17)
InChIKeyQQJQBGLFWLTEFS-UHFFFAOYSA-N
XLogP0.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 116936683
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937
5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 79095790
5-(1H-pyrazole-4-carbonyl)-1,3-dihydroindol-2-one
CID 114988363
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 80536215

Frequently Asked Questions

What is the IUPAC name of 5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one (CID 114988519) is 5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one is NC(c1cn[nH]c1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is QQJQBGLFWLTEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-12(9-5-14-15-6-9)7-1-2-10-8(3-7)4-11(17)16-10/h1-3,5-6,12H,4,13H2,(H,14,15)(H,16,17).
What are the key properties of 5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one?
5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 228.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 114988519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).